Self-consistent predictor/corrector algorithms for stable and efficient integration of the time-dependent Kohn-Sham equation

2018 ◽  
Vol 148 (4) ◽  
pp. 044117 ◽  
Author(s):  
Ying Zhu ◽  
John M. Herbert
Keyword(s):  
Time Dependent ◽  
Sham Equation ◽  
Self Consistent ◽  
Efficient Integration ◽  
Predictor Corrector

scholarly journals Diffusion in CP Stars: The Quest for Accuracy

1998 ◽  
Vol 11 (2) ◽  
pp. 671-673
Author(s):  
G. Alecian
Keyword(s):  
Computational Methods ◽  
Stellar Evolution ◽  
Diffusion Processes ◽  
Stellar Atmospheres ◽  
Time Dependent ◽  
Data Bases ◽  
Self Consistent ◽  
Stellar Envelopes ◽  
Better Than

We present a brief review about recent progresses concerning the study of diffusion processes in CP stars. The most spectacular of them concerns the calculation of radiative accelerations in stellar envelopes for which an accuracy better than 30% can now be reached for a large number of ions. This improvement is mainly due to huge and accurate atomic and opacity data bases available since the beginning of the 90’s. Developments of efficient computational methods have been carried out to take advantage of these new data. These progresses have, in turn, led to a better understanding of how the element stratification is building up with time. A computation of self-consistent stellar evolution models, including time-dependent diffusion, can now be within the scope of the next few years. However, the progresses previously mentioned do not apply for stellar atmospheres and upper layers of envelopes.

Development of time-dependent reaction rates to optimise predictor–corrector algorithm in ALEPH burn-up code

2013 ◽  
Vol 62 ◽  
pp. 307-315 ◽  
Author(s):  
L. Fiorito ◽  
A. Stankovskiy ◽  
G. Van den Eynde ◽  
P.E. Labeau
Keyword(s):  
Reaction Rates ◽  
Time Dependent ◽  
Predictor Corrector

scholarly journals Numerical Boundary Conditions for Solar Magnetic Hydrodynamic Flows Using the Method of Characteristics

1996 ◽  
Vol 154 ◽  
pp. 149-153
Author(s):  
S. T. Wu ◽  
A. H. Wang ◽  
W. P. Guo
Keyword(s):  
Boundary Conditions ◽  
Method Of Characteristics ◽  
Numerical Solutions ◽  
The Self ◽  
Time Dependent ◽  
Solar Plasma ◽  
The Method Of Characteristics ◽  
Mhd Simulations ◽  
Self Consistent ◽  
Dynamic Structures

AbstractWe discuss the self-consistent time-dependent numerical boundary conditions on the basis of theory of characteristics for magnetohydrodynamics (MHD) simulations of solar plasma flows. The importance of using self-consistent boundary conditions is demonstrated by using an example of modeling coronal dynamic structures. This example demonstrates that the self-consistent boundary conditions assure the correctness of the numerical solutions. Otherwise, erroneous numerical solutions will appear.

scholarly journals Josephson oscillations in split one-dimensional Bose gases

2021 ◽  
Vol 10 (4) ◽  
Author(s):  
Yuri Daniel van Nieuwkerk ◽  
Jörg Schmiedmayer ◽  
Fabian Essler
Keyword(s):  
Three Dimensional ◽  
Time Dependent ◽  
Dimensional Theory ◽  
Bose Gases ◽  
Microscopic Description ◽  
One Dimensional ◽  
Hartree Fock ◽  
Equilibrium Dynamics ◽  
Self Consistent ◽  
Double Well Potential

We consider the non-equilibrium dynamics of a weakly interacting Bose gas tightly confined to a highly elongated double well potential. We use a self-consistent time-dependent Hartree--Fock approximation in combination with a projection of the full three-dimensional theory to several coupled one-dimensional channels. This allows us to model the time-dependent splitting and phase imprinting of a gas initially confined to a single quasi one-dimensional potential well and obtain a microscopic description of the ensuing damped Josephson oscillations.

Imaginary-Time Time-Dependent Density Functional Calculation of Excited States of Atoms Using CWDVR Approach

2021 ◽  
Vol 323 ◽  
pp. 14-20
Author(s):  
Naranchimeg Dagviikhorol ◽  
Munkhsaikhan Gonchigsuren ◽  
Lochin Khenmedekh ◽  
Namsrai Tsogbadrakh ◽  
Ochir Sukh
Keyword(s):  
Excited States ◽  
Density Functional ◽  
Time Dependent ◽  
Discrete Variable ◽  
Coulomb Wave Function ◽  
Discrete Variable Representation ◽  
Density Functional Calculation ◽  
Imaginary Time ◽  
Sham Equation ◽  
Variable Representation

We have calculated the energies of excited states for the He, Li, and Be atoms by the time dependent self-consistent Kohn Sham equation using the Coulomb Wave Function Discrete Variable Representation CWDVR) approach. The CWDVR approach was used the uniform and optimal spatial grid discretization to the solution of the Kohn-Sham equation for the excited states of atoms. Our results suggest that the CWDVR approach is an efficient and precise solutions of excited-state energies of atoms. We have shown that the calculated electronic energies of excited states for the He, Li, and Be atoms agree with the other researcher values.

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